There are many methods for calculating binding free energy, such as Thermodynamic Integration (TI), Free Energy Perturbation (FEP), MM/PB(GB)SA, Linear Interaction Energy (LIE) ). The MM/PB(GB)SA method is a compromise between accuracy and speed and is widely used in receptor-ligand binding free energy calculations. The full name of this method is Molecular Mechanics / Poisson Boltzmann (Generalized Born) Surface Area. As the name suggests, the method splits the binding free energy into a molecular mechanics term and a solvation energy for separate calculations. CD BioSciences use computer-aided methods to provide energy decomposition analysis service of biofilm system to help customers complete biofilm related research.

Figure 1. Energy Decomposition Analysis.

Our Services

CD BioSciences provides one-stop energy decomposition analysis service of biofilm system. We offer a variety of methods and software to choose from to meet your research needs.  

Specific Energy Decomposition Analysis Approaches We Offer

Through our energy decomposition service, it is possible to determine the forces that contribute significantly to the interaction process.

Computational Principles

We calculate the difference between the binding free energies of two solvated molecules in the bound and unbound states or compare the free energies of different solvated conformations of the same molecule. Taking the binding of receptor protein and ligand small molecule as an example, the binding free energy can be directly calculated, that is, the energies of receptors, ligands and their complexes in solution can be calculated separately, and then the difference can be calculated.

Figure 2. MM/PB(GB)SA.

Provided by Clients

Please inform us of your specific energy decomposition analysis service of biofilm system details, and we can provide customized solutions for different projects.

Service Process

Our Features

Deliverables

1. Related experimental results raw data
2. Energy analysis results
3. Experimental report
4. Data analysis
5. Image and result analysis
6. Summary of relevant calculation parameters

Why Choose Us?

CD BioSciences provides professional biofilm service to meet the needs of regular customers to determine hits on time and on budget. CD BioSciences relies on the world-class technical expertise, we provide customers with the best quality one-stop biofilm service, including the development of experimental procedures according to different experimental needs. Please feel free to contact us for more detailed information, our scientists will tailor the most reasonable plan for your project.

• Biofilm Computational Construction Service
• Biofilm Molecular Dynamics Simulation Service
• Stability Test of Biofilm System
• RMSF Analysis of Biofilm System
• Gyration Radius Analysis of Biofilm System
• Binding Mode Analysis of Biofilm System
• Secondary Structure Analysis of Biofilm System
• Energy Analysis of Biofilm System
• Hydrophobic Interaction Analysis of Biofilm System
• Free Energy Landscape Analysis of Biofilm System
• Biofilm Conformational Principal Component Analysis
• Biofilm Ramachandran Plots Analysis
• Cluster Analysis of Biofilm System
• SAS Analysis Service of Biofilm System
• Electrostatic Interaction Analysis of Biofilm System
• Biofilm Virtual Screening Service
• Computational Modeling of Early-Stage Biofilm Formation
• Biofilm CGMD Service
• Biofilm DPD Service
• Biofilm DEM Service
• Biofilm SPH Service
• Biofilm XFEM Service
• Other Biofilm MD Serivce
• Biofilm Homology Modeling Serivce
• Gram-negative Bacterial Outer Membrane Construction Service
• Biofilm Formation Simulation Service
• Construction Services for Discrete Difference Models
• Modeling Services for Geometric Heterogeneity in Biofilms
• Computational Simulation Service for Biofilm Development
• Computational Modeling Service for Synthetic Biofilms
• Biofilm MD Results Analysis Services
• Biofilm Multiscale Computational Modeling Service
• Biofilm Modeling Service